Half-metallic ferromagnetism in the Ti 2CoGe heusler compound

Kervan S., Kervan N.

Journal of Electronic Materials, vol.41, no.7, pp.1978-1981, 2012 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Volume: 41 Issue: 7
  • Publication Date: 2012
  • Doi Number: 10.1007/s11664-012-1968-y
  • Journal Name: Journal of Electronic Materials
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.1978-1981
  • Keywords: electronic band structure, half-metallic ferromagnet, Heusler compounds, Magnetically ordered materials
  • Ankara Haci Bayram Veli University Affiliated: No

Abstract

Using first-principles calculations based on density functional theory, we predict the half-metallic ferromagnetism of the Ti 2CoGe Heusler compound with the CuHg 2Ti-type structure. The electronic band structures and density of states of the Ti 2CoGe compound show that the spin-up electrons are metallic, but the spin-down bands are semiconducting with a gap of 0.61 eV, and the spin-flip gap is 0.58 eV. The Ti 2CoGe Heusler compound is half-metallic ferromagnetic with magnetic moment of 3μ B at the equilibrium lattice constant a = 6.11 Å, which agrees with the Slater-Pauling rule. © 2012 TMS.